CID 62740777

1-(2-methoxyethyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C10H18O3
SMILES
COCCC1(CCCCC1)C(=O)O
InChI
InChI=1S/C10H18O3/c1-13-8-7-10(9(11)12)5-3-2-4-6-10/h2-8H2,1H3,(H,11,12)
InChIKey
KFHOGBPKUCFXMH-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

186.1256 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 143.1
[M+Na]+ 209.11482 147.4
[M-H]- 185.11832 144.3
[M+NH4]+ 204.15942 163.7
[M+K]+ 225.08876 146.7
[M+H-H2O]+ 169.12286 138.2
[M+HCOO]- 231.12380 161.3
[M+CH3COO]- 245.13945 178.4
[M+Na-2H]- 207.10027 147.2
[M]+ 186.12505 140.5
[M]- 186.12615 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe